SCHEMBL11604142

SCHEMBL11604142

O=S(=O)(O)c1c(O)ccc2cc(Br)ccc12.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.57
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 2/20 0.38
CES2 O00748 1/20 0.38
GALR3 O60755 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP1 P29466 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11604138 0.82 ERN1 (0.55) ERN1MAPTMEN1KMT2ACA12
SCHEMBL29653686 0.81 MPL (0.51) ERN1CYP2D6HPGDLMNACYP1A2
SCHEMBL9011319 0.81 MPL (0.51) ERN1CYP2D6HPGDLMNACYP1A2
SCHEMBL10508205 0.79 NT5E (0.54) MAPTKMT2AKDM4EALDH1A1CYP2D6
SCHEMBL28401054 0.78 ERN1 (0.51) ERN1MAPTMEN1KMT2ACA12
SCHEMBL4084347 0.78 CASP6 (0.57) MEN1KMT2AKDM4EALDH1A1CYP2D6
SCHEMBL4940575 0.75 ERN1 (0.48) ERN1MAPTMEN1KMT2ACA12
SCHEMBL14184043 0.75 HSD17B10 (0.40) MAPTCA12CA9KDM4EALDH1A1
SCHEMBL1730362 0.75 ERN1 (0.52) ERN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL20885914 0.75 ERN1 (0.52) ERN1MAPTKMT2AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4120960-A DIURETICS, SALURESIS THE BOOTS COMPANY LIMITED (GB) 1978-10-17 US disclosed